SCHEMBL18868479

SCHEMBL18868479

C=C/C(=N\C)c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.47
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ GPR52 Q9Y2T5 1/20 0.38
▸ ERCC5 P28715 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23660937 0.81 KMO (0.41) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL20470769 0.80 AKT1 (0.46) MAPTTDP1AKT1LMNA
SCHEMBL18868783 0.80 AKT1 (0.46) MAPTTDP1AKT1LMNA
SCHEMBL21574123 0.73 RARB (0.37) MGLLRXRARXRBMAPTLMNA
SCHEMBL23430339 0.73 DHODH (0.39) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL23750310 0.72 KMO (0.49) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL13052186 0.69 KMO (0.40) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL19801364 0.68 HDAC8 (0.47) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL14471650 0.68 KMO (0.54) KMOPRSS1PRSS2PRSS3DHODH
SCHEMBL2135450 0.67 KMO (0.55) KMOPRSS1PRSS2PRSS3DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF KMO 498/4885PRSS1 4055/4885PRSS2 3342/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 KMO 2144/4885PRSS1 2820/4885PRSS2 1793/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 KMO 2144/4885PRSS1 2820/4885PRSS2 1793/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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